ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006550
RECORD_TITLE: BUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL LAURATE
CH$NAME: BUTYL DODECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY NDKYEUQMPZIGFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059336

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9100000000-f8ef34610b7e42347035
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  27 10.7 107
  29 30.79 308
  31 1.04 10
  39 6.25 63
  41 48.89 489
  42 9.21 92
  43 38.51 385
  45 1.09 11
  53 1.71 17
  54 2 20
  55 27.58 276
  56 99.99 999
  57 49.72 497
  58 1.8 18
  60 26.03 260
  61 12.87 129
  67 2.37 24
  68 1.63 16
  69 10.66 107
  70 2.53 25
  71 10.25 103
  73 24.02 240
  74 2.06 21
  81 2.04 20
  83 7.69 77
  84 4.7 47
  85 6.43 64
  87 4.57 46
  95 2.35 24
  97 5.41 54
  98 4.62 46
  99 1.06 11
  101 6.73 67
  109 1.17 12
  111 1.62 16
  115 2.52 25
  116 7.63 76
  117 2.33 23
  129 9.9 99
  143 1.22 12
  157 3.52 35
  171 1.49 15
  183 17.72 177
  184 1.93 19
  185 1.04 10
  200 3.66 37
  201 27.62 276
  202 3.45 35
  256 1.69 17
//